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. Author manuscript; available in PMC: 2019 Oct 1.
Published in final edited form as: Mol Pharm. 2018 Aug 28;15(10):4361–4370. doi: 10.1021/acs.molpharmaceut.8b00546

Table 3.

Ranked normalized scores for each machine learning algorithm by metric (average over datasets for the validation dataset). AdaBoost (ADA); Bernoulli Naive Bayes (BNB); Random forest (RF); support vector classification (SVC); Deep Neural Networks (DNN).

Algorithm ACC AUC Cohen’s Kappa F1-Score MCC Precision Recall Mean Rank
RF 0.90 0.84 0.75 0.58 0.75 0.59 0.62 0.72 1
DNN 2 0.90 0.73 0.74 0.57 0.75 0.65 0.55 0.70 2
SVC 0.91 0.81 0.73 0.55 0.74 0.61 0.55 0.70 3
DNN 5 0.90 0.73 0.74 0.57 0.75 0.65 0.55 0.70 4
DNN 4 0.90 0.73 0.74 0.57 0.75 0.65 0.55 0.70 5
DNN 3 0.90 0.73 0.74 0.57 0.75 0.63 0.55 0.70 6
BNB 0.84 0.80 0.71 0.54 0.72 0.51 0.64 0.68 7
ADA 0.90 0.81 0.71 0.52 0.72 0.57 0.51 0.68 8